Information card for entry 7108588

Structure parameters

• Formula: C29 H30 B F12 O4 P Si3
• Calculated formula: C29 H30 B F12 O4 P Si3
• SMILES: P(C(=[O][B](c1c(c(cc(c1F)F)F)F)(c1c(c(cc(c1F)F)F)F)c1c(c(cc(c1F)F)F)F)O[Si](C)(C)C)=C(O[Si](C)(C)C)O[Si](C)(C)C
• Title of publication: Silyl-migrations in frustrated Lewis pair chemistry: reactions of (CH3)3Si)3P and B(C6F4H)3 with H2 and CO2
• Authors of publication: Katsuhiko Takeuchi; Douglas W. Stephan
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11304
• a: 10.8454 ± 0.0004 Å
• b: 11.2438 ± 0.0004 Å
• c: 15.412 ± 0.0006 Å
• α: 84.657 ± 0.002°
• β: 87.652 ± 0.001°
• γ: 85.639 ± 0.002°
• Cell volume: 1864.72 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No